Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371830
SMILES COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H24BrNO4 MW 434.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO4/c1-11(2)27-21(25)18-12(3)23-15-6-5-7-16(24)20(15)19(18)13-8-9-17(26-4)14(22)10-13/h8-11,19,23H,5-7H2,1-4H3InChIKey
CWJNXRDGNUXNTM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)OC(C)C
InChI=1SC21H24BrNO4c111(2)2721(25)1812(3)231565716(24)20(15)19(18)138917(264)14(22)1013h8111923H57H214H3
MFCD00619498
propan2yl4(3bromo4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019535725
ZINC000019535727
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